SCHEMBL4789391

SCHEMBL4789391

NC(C(=O)OCC1CCCCC1)C1(C(=O)O)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 6/20 0.48
SLC1A2 P43004 6/20 0.48
SLC1A1 P43005 6/20 0.48
LMNA P02545 1/20 0.44
ALOX5 P09917 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
SPHK1 Q9NYA1 3/20 0.32
FFAR1 O14842 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL204608 0.75 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1LMNAALOX5
SCHEMBL28791275 0.75 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1LMNAALOX5
SCHEMBL25012577 0.75 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1LMNAALOX5
SCHEMBL204784 0.75 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1LMNAALOX5
Hydrochloric Acid SCHEMBL28986525 0.74 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1LMNAALOX5
Hydrochloric Acid SCHEMBL28986524 0.74 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1LMNAALOX5
SCHEMBL25665220 0.73 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1LMNAALOX5
SCHEMBL4167976 0.71 LMNA (0.49) SLC1A3SLC1A2SLC1A1LMNAPARP15
SCHEMBL6204613 0.71 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1
SCHEMBL4699779 0.71 PRKCA (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919859-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE Xenoport, Inc. (US) 2008-05-14 EP disclosed
WO-2007002013-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2007-01-04 WO disclosed